| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 32 | No |
Popular Name: 5-cyano-2-methyl-N,4-diphenyl-6-(4-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide 5-cyano-2-methyl-N,4-diphenyl-6-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.56 | 12.57 | -25.05 | 2 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | -1.79 | -11.12 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 0.05 | -26.94 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | -1.49 | -11.85 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | -1.67 | -41.83 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.52 | -0.19 | -43.37 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | 0.16 | -57.06 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.90 | -1.37 | -44.12 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
